SCHEMBL1839734

SCHEMBL1839734

CCn1ncc(C(C)NC(=O)c2cccc3ccc(C(C)(C)C(F)(F)F)nc23)c1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.35
BRPF1 P55201 1/20 0.35
GPR139 Q6DWJ6 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1842383 0.92 CCR1 (0.36) CCR1KDM4EALDH1A1MAPTLMNA
SCHEMBL1842443 0.91 MAPT (0.36) CCR1KDM4EALDH1A1MAPTLMNA
SCHEMBL1841550 0.91 CCR1 (0.35) CCR1KDM4EALDH1A1MAPTLMNA
SCHEMBL1839936 0.82 KDM4E (0.35) CCR1KDM4EALDH1A1MAPTMEN1
SCHEMBL1841391 0.82 CCR1 (0.39) CCR1KDM4EALDH1A1MAPTMEN1
SCHEMBL1840636 0.82 HPGD (0.41) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1842532 0.82 KDM4E (0.36) CCR1KDM4EALDH1A1MAPTMEN1
SCHEMBL1838903 0.80 BRPF1 (0.45) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1845558 0.80 CCR1 (0.40) CCR1KDM4EALDH1A1MAPTBRPF1
SCHEMBL1844082 0.80 ALDH1A1 (0.45) CCR1KDM4EALDH1A1MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP claimed